N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C17H24N4OS2 — CID 51210035

IUPACN-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(SC(C)C(=O)NCC(C)c2ccccc2)s1
InChIInChI=1S/C17H24N4OS2/c1-4-10-18-16-20-21-17(24-16)23-13(3)15(22)19-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyAYWPWHAADXQSQU-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.76
Rot. Bonds9

About N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 51210035) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID51210035
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC NameN-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCCCNc1nnc(SC(C)C(=O)NCC(C)c2ccccc2)s1
InChIInChI=1S/C17H24N4OS2/c1-4-10-18-16-20-21-17(24-16)23-13(3)15(22)19-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyAYWPWHAADXQSQU-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2R)-2-phenylpropyl]propanamide
CID 40668789
(2S)-N-phenyl-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8911091
(2R)-N-[(2-chlorophenyl)methyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993494
N'-[(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 8911593
2-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42885782
(2S)-N-(2,6-difluorophenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993497
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 9378718
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]propanamide
CID 18091282
N-(2-propan-2-ylpyrazol-3-yl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 46826499
N-(2,3-dimethylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 86919102
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 8993580

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 51210035) is N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is CCCNc1nnc(SC(C)C(=O)NCC(C)c2ccccc2)s1.
What is the InChIKey of N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is AYWPWHAADXQSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-4-10-18-16-20-21-17(24-16)23-13(3)15(22)19-11-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 364.54 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 51210035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).